N-(2-methylpropyl)piperidine-2-carboxamide hydrochloride

• ChemBase ID: 49470
• Molecular Formular: C10H21ClN2O
• Molecular Mass: 220.73954
• Monoisotopic Mass: 220.13424098
• SMILES: C(=O)(NCC(C)C)C1NCCCC1.Cl
• Canonical SMILES: CC(CNC(=O)C1CCCCN1)C.Cl
• InChI: InChI=1S/C10H20N2O.ClH/c1-8(2)7-12-10(13)9-5-3-4-6-11-9;/h8-9,11H,3-7H2,1-2H3,(H,12,13);1H
• InChIKey: FIPNFDQVLYOOJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methylpropyl)piperidine-2-carboxamide hydrochloride
• IUPAC Traditional name: N-(2-methylpropyl)piperidine-2-carboxamide hydrochloride
• Synonyms: N-Isobutyl-2-piperidinecarboxamide hydrochloride

Database IDs

• MDL Number: MFCD13562476
• PubChem SID: 162054233
• PubChem CID: 53410864

CALCULATED PROPERTIES

• Polarizability: 21.152966 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 16.052586
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9946134
• LogD (pH = 7.4): -0.47456732
• Log P: 1.0084639
• Molar Refractivity: 53.1284 cm^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false